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Physical & Chemical properties

Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
from 2018-01-11 to 2018-03-19
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
column elution method
Key result
Water solubility:
8.34 mg/L
Temp.:
20 °C
pH:
5
Details on results:
The analysis was performed by GC/FID after extraction of the samples with cyclohexane containing an internal standard. The test item - consisting of several isomers - showed up as three closely eluting peaks. The relative standard deviations of results of consecutive samples were 6.2 % and 5.7 %. The mean values between the two flows differed by 1.8 %. The acceptance criteria of the guideline were fulfilled and therefore, the study is valid.
The analytical method was verified by analysis of water samples spiked at a relevant concentration of the test item (13.6 mg test item/L). The average recovery for the spiked samples was found to be 98 % of the spiked values with a relative standard deviation of 4.0 %. The method was considered to be sufficiently accurate and precise for the purpose of this test.

Results

Table 1 Results for Determination of Water Solubility

Experiment No

Flow rate (mL/h)

Sample No

pH

Measured concentration of test item (mg/L)

Sample preparation factor F

Water solubility C (mg/L)

Water solubility mean value ± SD (mg/L)

1

41

1

2

3

4

5

6

7

8

9

10

11

5

4.5

5

5

6

5

5

5

5

5

5

7.47

8.29

8.06

8.72

7.40

8.43

8.10

8.83

8.49

8.89

9.87

1

1

1

1

1

1

1

1

1

1

1

7.47

8.29

8.06

8.72

7.40

8.43

8.10

8.83

8.49

8.89

9.87

8.41 ± 0.52

(Rel.SD: 6.2%)

2

21

1

2

3

4

5

5

5

5

5

5

8.06

7.97

7.80

8.52

8.96

1

1

1

1

1

8.06

7.97

7.80

8.52

8.96

8.26 ± 0.47

(Rel.SD: 5.7%)

Overall mean:

8.34

 

Table 2 Results for spiked samples

Nominal concentration of test item Cnom(mg/L)

Measured concentration of test item in spiked samples x (mg/L)

Sample preparation factor F

Determined concentration of test item in spiked samples c (mg/L)

Recovery rate R (%)

Accuracy (Average recovery) (%)

Precision (Relative Standard Deviation of Recovery) (%)

13.6

13.2

13.1

14.1

13.0

1

1

1

1

13.2

13.1

14.1

13.0

97

97

104

95

98

4.0

  

Conclusions:
The water solubility of the test item was determined using column elution method to be 8.34 mg/L at 20 °C.
Executive summary:

The water solubility of the test item was determined according to OECD 105 and Regulation (EC) No. 440/2008 method A.6 using the column elution method with GC-FID analysis. About 106.95 mg test item were weighed and dissolved in 20 mL acetone and added to 100 mL round bottom flask containing 7 g glass beads. The acetone was evaporated using rotary evaporator and the remaining acetone was blown off using a stream of nitrogen. The dry loaded carrier (the glass beads) was poured into an elution column. The elution was performed using a recirculation pump. The column was kept at 20 °C. Two experiments with two different flow rates were conducted - one with 0.69 mL/min and one with 0.35 mL/min. After 2 hours of equilibration samples were taken every 1 hour for the higher flow rate and every 2 hours for the lower flow rate. These samples were analysed together with spiked water samples with GC-FID. The pH of each sample was recorded. The water solubility of the test item was determined to be 8.34 mg/L at 20 °C (pH = 5).

Description of key information

The water solubility of the test item was determined using column elution method to be 8.34 mg/L at 20 °C.

Key value for chemical safety assessment

Water solubility:
8.34 mg/L
at the temperature of:
20 °C

Additional information

The water solubility of the test item was determined according to OECD 105 and Regulation (EC) No. 440/2008 method A.6 using the column elution method with GC-FID analysis. About 106.95 mg test item were weighed and dissolved in 20 mL acetone and added to 100 mL round bottom flask containing 7 g glass beads. The acetone was evaporated using rotary evaporator and the remaining acetone was blown off using a stream of nitrogen. The dry loaded carrier (the glass beads) was poured into an elution column. The elution was performed using a recirculation pump. The column was kept at 20 °C. Two experiments with two different flow rates were conducted - one with 0.69 mL/min and one with 0.35 mL/min. After 2 hours of equilibration samples were taken every 1 hour for the higher flow rate and every 2 hours for the lower flow rate. These samples were analysed together with spiked water samples with GC-FID. The pH of each sample was recorded. The water solubility of the test item was determined to be 8.34 mg/L at 20 °C (pH = 5).